JChem for XL surface area and geometry calculations

Hello:

I've tried out various calculator plugins for an identical SMILES string both on chemicalize.org and in JChem for XL (Latest release, in XL 2007).

The logP, topology analysis, elemental analysis return identical values in each implementation of the calculators.

But, polar surface area, molecular surface area, and geometry parameters (Dreiding energy, volume, min/max projection area, z length) do not match in the two implementations.

Could you kindly advise what JChem functions I need to call in XL to fix this?

Thank you!

Ari

Hi Ari, 

can you please send us some SMILES codes that caused problem for you so we can investigate the issue? 

Thank you, 

Daniel